Mol:LBF11000BC04

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LBF11000BC04.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
   -3.7570    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3392    1.6421    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.8033    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3392    2.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3459    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7570    2.3541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7570    0.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1447    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7337    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1447    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7337   -0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1447   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7337   -1.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1447   -2.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  4  0  0  0 
  3  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2 14  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
S  SKP  5 
ID	LBF11000BC04 
FORMULA	C12H24O2 
EXACTMASS	200.17763001199998 
AVERAGEMASS	200.31776 
SMILES	CCCCCCCCC(C)CC(O)=O 
M  END
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